gustavojra

gustavojra's Stars

• JuliaPhysics/Measurements.jl

  Error propagation calculator and library for physical measurements. It supports real and complex numbers with uncertainty, arbitrary precision calculations, operations with arrays, and numerical integration.

  Language:Julia48637

• JuliaPlots/UnicodePlots.jl

  Unicode-based scientific plotting for working in the terminal

  Language:Julia1.4k79

• JuliaGPU/CUDA.jl

  CUDA programming in Julia.

  Language:Julia1.2k219

• alexriss/ChemfilesViewer.jl

  Julia library to visualize molecules and other chemical structures

  Language:Jupyter Notebook20

• FermiQC/Fermi.jl

  Fermi quantum chemistry program

  Language:Julia13525

• psi4/psi4

  Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

  Language:C++962445

• psi4/psi4numpy

  Combining Psi4 and Numpy for education and development.

  Language:Jupyter Notebook342159

• JuliaMolSim/DFTK.jl

  Density-functional toolkit

  Language:Julia43289

• FermiQC/Molecules.jl

  Library that handles atom structures as XYZ files and properties derived from it.

  Language:Julia1310

• lazarusA/MakieNotebooks

  A collection of Jupyter notebooks with simple examples on how to use Makie

  Language:Jupyter Notebook384

• MakieOrg/Makie.jl

  Interactive data visualizations and plotting in Julia

  Language:Julia2.4k308

• JuliaGL/ModernGL.jl

  OpenGL 3+ bindings for Julia

  Language:Julia12529

• jarvist/Quante.jl

  Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2

  Language:Julia215

• sunqm/libcint

  general GTO integrals for quantum chemistry

  Language:C20576

• rpmuller/MolecularIntegrals.jl

  Fast, hackable molecular integrals

  Language:Julia12

• CCQC/Quax

  Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.

  Language:C++6110

• CCQC/PES-Learn

  Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

  Language:Python6516

• xrq-phys/BliContractor.jl

  TensorOperations.jl compatible fast contractor for Julia, based on TBLIS, with generic strides and automatic differentiation support, within 400 lines.

  Language:Julia282

• vonDonnerstein/QuantumLab.jl

  A workbench for Quantum Chemistry and Quantum Physics in Julia

  Language:Julia5219

• CrawfordGroup/ProgrammingProjects

  C++ Programming Tutorial in Chemistry

  413134

• mdav2/JuES.jl

  Quantum chemical simulation in Julia

  Language:Julia101

• JuliaLang/julia

  The Julia Programming Language

  Language:Julia45.6k5.5k

• Jutho/TensorOperations.jl

  Julia package for tensor contractions and related operations

  Language:Julia45956

• jturney/ambit

  C++ library for the implementation of tensor product calculations through a clean, concise user interface.

  Language:C++219